1O4U
Crystal structure of a nicotinate nucleotide pyrophosphorylase (tm1645) from thermotoga maritima at 2.50 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 96.371, 126.125, 138.372 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.290 - 2.500 |
| R-factor | 0.216 |
| Rwork | 0.213 |
| R-free | 0.27200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qpn |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.520 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (4.2)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.290 | 2.570 |
| High resolution limit [Å] | 2.500 * | 2.500 |
| Rmerge | 0.081 * | 0.546 * |
| Total number of observations | 125534 * | |
| Number of reflections | 29194 | |
| <I/σ(I)> | 12.6 | 2 |
| Completeness [%] | 99.2 | 93.2 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6 | 293 | 10% PEG-6000, 0.1M MES pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 20 (mM) | pH7.9 |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | TCEP | 0.25 (mM) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | reservoir | PEG6000 | 10 (%) | |
| 6 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
